Cas no 91716-48-2 (Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)diimino]bis-)
![Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)diimino]bis- structure](https://ossimg.kuujia.com/scimg/92000/91716-48-2x500.png)
91716-48-2 structure
Product Name:Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)diimino]bis-
CAS No:91716-48-2
MF:C10H13N5O8
MW:331.238921880722
CID:786713
PubChem ID:19915235
Update Time:2025-04-19
Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)diimino]bis- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)diimino]bis-
- 2-[3-(2-hydroxyethylamino)-2,4,6-trinitroanilino]ethanol
- 91716-48-2
- 2,2'-[(2,4,6-Trinitro-1,3-phenylene)diazanediyl]di(ethan-1-ol)
- DTXSID50601283
- SCHEMBL9637744
- 1,3-bis(2-hydroxyethylamino)-2,4,6-trinitro-benzene
-
- Inchi： 1S/C10H13N5O8/c16-3-1-11-8-6(13(18)19)5-7(14(20)21)9(12-2-4-17)10(8)15(22)23/h5,11-12,16-17H,1-4H2
- InChI Key： WTNKTVNPIYDCJF-UHFFFAOYSA-N
- SMILES： OCCNC1C(=CC(=C(C=1[N+](=O)[O-])NCCO)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 331.07641239g/mol
- Monoisotopic Mass: 331.07641239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 400
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 202?2
Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)diimino]bis- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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